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1.
Tetsuo Irifune Chiaki Ueda Shohei Ohshita Hiroaki Ohfuji Takehiro Kunimoto Toru Shinmei 《高压研究》2020,40(1):96-106
ABSTRACTNano-polycrystalline diamond (NPD) with various grain sizes has been synthesized from glassy carbon at pressures 15–25?GPa and temperatures 1700–2300°C using multianvil apparatus. The minimum temperature for the synthesis of pure NPD, below which a small amount of compressed graphite was formed, significantly increased with pressure from ~1700°C at 15?GPa to ~1900°C at 25?GPa. The NPD having grain sizes less than ~50?nm was synthesized at temperatures below ~2000°C at 15?GPa and ~2300°C at 25?GPa, above which significant grain growth was observed. The grain size of NPD decreases with increasing pressure and decreasing temperature, and the pure NPD with grain sizes less than 10?nm is obtained in a limited temperature range around 1800–2000°C, depending on pressure. The pure NPD from glassy carbon is highly transparent and exhibits a granular nano-texture, whose grain size is tunable by selecting adequate pressure and temperature conditions. 相似文献
2.
Drug-target networks have aided in many target prediction studies aiming at drug repurposing or the analysis of side effects. Conventional drug-target networks are bipartite. They contain two different types of nodes representing drugs and targets, respectively, and edges indicating pairwise drug-target interactions. In this work, we introduce a tripartite network consisting of drugs, other bioactive compounds, and targets from different sources. On the basis of analog relationships captured in the network and so-called neighbor targets of drugs, new drug targets can be inferred. The tripartite network was found to have a stable structure and simulated network growth was accompanied by a steady increase in assortativity, reflecting increasing correlation between degrees of connected nodes leading to even network connectivity. Local drug environments in the tripartite network typically contained neighbor targets and revealed interesting drug-compound-target relationships for further analysis. Candidate targets were prioritized. The tripartite network design extends standard drug-target networks and provides additional opportunities for drug target prediction. 相似文献
3.
The reaction of 1-silylcyclopropyl anions with dichloromethyl methyl ether is described. The reaction with an excess amount of dichloromethyl methyl ether gives the corresponding cyclopropyl silyl ketones in low yields. On the other hand, the reaction under basic conditions proceeded smoothly to afford the corresponding cyclopropylidene derivatives, exclusively. The resulting cyclopropylidene compounds are subjected to hydrolysis or trapping with electrophiles easily to give the cyclopropyl silyl ketone derivatives in good yields. 相似文献
4.
Ko-Ki Kunimoto Kouji Kimura Takatomo Takai Hitoshi Senda Motoo Shiro Akio Kuwae 《光谱学快报》2013,46(4):509-522
Two polymorphic forms (I and II) of 4-fluorophenylpyruvic acid (F-PPA) were obtained by crystallization from different solvents, showing a melting point at 163.2 and 171.0 °C. Crystal structures of polymorphs I and II were determined by X-ray crystallography. IR and Raman spectra of the two polymorphs were measured and the spectral characteristics were compared with those of phenylpyruvic acid. the two polymorphs show similar molecular and crystal structures to each other, except for the molecular geometries of the enol and the carboxylic acid moieties. Distinct IR spectral differences which result from the crystal field splitting were observed between the two polymorphs. 相似文献
5.
A pressure generation test for Kawai-type multianvil apparatus (KMA) has been made using second-stage anvils of a newly developed ultra-hard tungsten carbide composite. Superb performance of the new anvil with significantly less plastic deformation was confirmed as compared to those commonly used for the KMA experiments. A maximum pressure of ~48?GPa was achieved using the new anvils with a truncation edge length (TEL) of 1.5?mm, based on in situ X-ray diffraction measurements. Further optimization of materials and sizes of the pressure medium/gasket should lead to pressures even higher than 50?GPa in KMA using this novel tungsten carbide composite, which may also be used for expansion of the pressure ranges in other types of high pressure apparatus operated in large volume press. 相似文献
6.
Hanai K Kuwae A Takai T Senda H Kunimoto KK 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2001,57(3):513-519
The IR and Raman spectra of the two polymorphic forms (58 degree- and 68 degree-forms) of cis-cinnamic acid were measured, and the spectral differences discussed on the basis of the crystal structures of the two forms. The IR bands related to the COOH group differ in the frequencies and band shape, reflecting differences in the hydrogen bonding between the two modifications. These spectra were compared with those of trans-cinnamic acid. The IR, Raman, and NMR spectra of the isotopic compounds, including the deuterated and 13C analogs of the cis and trans acids, were also recorded in the solid state and in solution to confirm the spectral assignments. 相似文献
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8.
Mitsunori Honda Yusuke Taniguchi Tomohiro Hayashi Ko-Ki Kunimoto Masahito Segi Takahiro Yamaguchi 《Tetrahedron letters》2017,58(48):4554-4558
The synthesis of a novel class of 3-silyl substituted thiophenes possessing perfluoroalkyl groups on the silicon atom was investigated. The treatment of 3-bromothiophene with n-butyllithium followed by the reaction with halosilanes proceeded to afford the corresponding 3-silyl substituted thiophenes 1 in good yields. The chemical polymerization of the resulting 1 did not work well. However, the electropolymerization of 3-silylthiophenes 1a and 1b provided the corresponding polymers 5a and 5b with head-to-tail regioregularity. The cyclic voltammogram of the resulting polymers 5a and 5b indicated both n- and p-doping properties. 相似文献
9.
S. Kitoh H. Senda K.‐K. Kunimoto S. Maeda A. Kuwae K. Hanai 《Crystal Research and Technology》2004,39(4):375-381
Crystal structures of (R)‐ and (rac)‐4‐phenyl‐1,3‐oxazolidin‐2‐one (4‐POO) have been determined by X‐ray diffraction and characterized by the solid state 13C NMR and IR spectra. Molecular geometries and intermolecular interactions in (R)‐ and (rac)‐4‐POO crystals are very similar to each other; 4‐POO molecules are linked via the N‐H…O intermolecular hydrogen bonds to form the chained structure. Chemical shifts of the solid state 13C NMR spectra are very similar to each other, whereas the 1H spin‐lattice relaxation times (T1H) value for (R)‐4‐POO is five times as large as that for (rac)‐4‐POO, reflecting the more restricted mobility of the (R)‐4‐POO chain. Although both crystals contain an unique molecule in the asymmetric unit, a doublet feature is observed for the C=O stretching mode in the IR spectra of (R)‐ and (rac)‐4‐POO crystals. The frequency gap of the C=O bands are correlated with the strength of the dipole‐dipole interactions between the neighboring C=O groups. © 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim 相似文献
10.
Takeshi Sakai Takehiko Yagi Tetsuo Irifune Hirokazu Kadobayashi Naohisa Hirao Takehiro Kunimoto 《高压研究》2018,38(2):107-119
We have developed a double stage diamond anvil cell (ds-DAC) technique for reproducible pressure by precisely fabricating 2nd stage anvils using a focused ion beam system. We used 2nd stage micro-anvils made of ultra-fine (10?nm) nano-polycrystalline diamond with various shapes and dimensions synthesized from glassy carbon at high pressure and temperature. The X-ray diffraction patterns from the rhenium sample always showed very broad peaks due to large pressure gradients in the culet of the micro-anvils. Deconvolution of the broad 101 diffraction peak results in compression of rhenium to V/V0?=?0.633 for the smallest d-spacing. The calculated pressure for this minimum volume varies from 430 to 630?GPa, depending on the choice of the equation of state of rhenium. We conclude that the most likely pressure achieved for the minimum volume of rhenium is in a range of 430–460?GPa based on a calibration using the platinum pressure scale to 280?GPa and the latter value of 630?GPa is unreasonably high, suggesting that the pressures in an earlier study for the equation of state of rhenium would have been significantly overestimated. 相似文献